%chk=000148034.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148034

0 1
 O    3.900900      0.7790000      -1.007600    
 O    1.835800       1.896800       1.714000    
 O    3.285100       3.547000      0.1134000    
 O    6.677000      0.3885000     -0.9475000    
 O   -6.336000       2.661700     -0.7601000    
 O   -7.226000       1.070500      0.4627000    
 N    2.224300     -0.6590000     -0.1408000    
 N    2.321400      -2.883400      4.1999999E-03
 N  -0.1850000     -0.3472000     -0.1164000    
 N   -1.355300      -2.482600      4.7100000E-02
 N  -0.2005000      -4.575100      0.1647000    
 N   -6.246600       1.575700     -0.1377000    
 C    2.995000       1.373300       1.098400    
 C    2.682100      0.7249000     -0.2415000    
 C    3.986200       2.445400      0.6904000    
 C    4.789300       1.746800     -0.4024000    
 C    6.007500       1.009600      0.1357000    
 C   0.9293000      -1.093700     -8.7700002E-02
 C    3.022400      -1.772200     -8.2999997E-02
 C    1.011600      -2.474100      2.3000001E-03
 C  -0.1897000      -3.172600      7.1400002E-02
 C   -1.281600      -1.132700     -4.3800000E-02
 C   -2.546400     -0.4413000     -6.6299997E-02
 C   -2.672600      0.7710000     -0.7499000    
 C   -3.653700     -0.9805000      0.5941000    
 C   -3.896700       1.439200     -0.7728000    
 C   -4.878100     -0.3124000      0.5712000    
 C   -4.999600      0.8974000     -0.1124000    
 H    3.465600      0.6606000       1.785400    
 H    1.913000       1.273000     -0.7997000    
 H    4.581600       2.827000       1.524700    
 H    5.092700       2.434300      -1.200000    
 H    5.733100      0.2267000      0.8496000    
 H    6.703500       1.700200      0.6208000    
 H    1.453900       2.563800       1.118400    
 H    3.950500       4.193200     -0.1784000    
 H    4.102200      -1.717500     -0.1027000    
 H    6.047300     -0.2191000      -1.371800    
 H   0.6678000      -5.092700      0.1822000    
 H   -1.086500      -5.059500      0.2130000    
 H   -1.835500       1.214900      -1.283700    
 H   -3.590100      -1.916100       1.144700    
 H   -3.955500       2.378200      -1.317400    
 H   -5.715100     -0.7631000       1.098400    


%chk=000148034-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000148034

0 1
O 3.588641 0.758031 -0.941092
O 2.741240 1.600314 2.559844
O 3.335210 3.484596 0.804984
O 6.073056 0.690964 -2.230736
O -6.278953 2.896901 -0.938332
O -7.419475 0.930745 -0.745088
N 2.252687 -0.728018 0.363013
N 2.307919 -3.008025 0.632478
N -0.196380 -0.421996 0.096013
N -1.415050 -2.547161 0.253394
N -0.342771 -4.619350 0.614807
N -6.324327 1.617974 -0.753024
C 3.527372 1.198155 1.421837
C 2.686359 0.647745 0.230418
C 4.295909 2.369369 0.751969
C 4.560011 1.875814 -0.687592
C 5.965369 1.293981 -0.906769
C 0.919432 -1.164774 0.288863
C 3.035862 -1.879860 0.565051
C 0.981466 -2.571135 0.467072
C -0.265428 -3.264517 0.446905
C -1.342106 -1.182464 0.084821
C -2.626643 -0.463087 -0.129008
C -2.631689 0.944127 -0.333246
C -3.857144 -1.174791 -0.132473
C -3.838867 1.632793 -0.538660
C -5.073122 -0.499686 -0.335324
C -5.047553 0.899136 -0.536849
H 4.229380 0.425882 1.779768
H 1.776590 1.260053 0.082977
H 5.226463 2.627184 1.293410
H 4.353759 2.665032 -1.434576
H 6.197786 0.554622 -0.107801
H 6.725399 2.094527 -0.882624
H 2.385858 2.509158 2.356861
H 3.758269 4.333746 0.531473
H 4.120401 -1.841088 0.628651
H 5.293379 0.086986 -2.348680
H 0.507462 -5.160328 0.758916
H -1.253536 -5.073065 0.592969
H -1.674939 1.472582 -0.326973
H -3.829072 -2.255737 0.026089
H -3.868021 2.713424 -0.699210
H -6.031602 -1.024859 -0.341326


